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CELLV02_ALERT_1_B The supplied cell volume s.u. differs from that
calculated from the cell parameter s.u.¡¯s by > 4
Calculated cell volume su = 20.25
Cell volume su given = 16.00
PLAT152_ALERT_1_B The Supplied and Calc. Volume s.u. Differ by ... 4 Units
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wormma

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lichun1210(½ð±Ò+2): ¸Ðл»ØÌû½»Á÷~ 2012-02-08 08:02:19
cingym(½ð±Ò+5): ¡ï¡ï¡ïºÜÓаïÖú лл 2012-02-08 15:01:21
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# >>> Check for consistency of su on Volume and cell parameters
_152    1   99   99 1 I
The Supplied and Calc. Volume s.u. Differ by ... $I Units  
Some software packages calculate Volume su's incorrectly. The correct formula
for triclinic, monoclinic and orthorhombic systems
(based on the propagation of error expression) may be found in:
M. Nardelli, Computer & Chemistry, (1983), 7, 95-98.
or
C. Giacovazzo ed. in 'Fundamentals of Crystallography', Second Edition,
Oxford University Press, 2003,  p135.

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cingym

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Â¥: Originally posted by p452_1 at 2012-02-08 02:59:36:
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cingym

ľ³æ (СÓÐÃûÆø)

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Â¥: Originally posted by wormma at 2012-02-08 01:44:18:
ÕâÀïÊÇ´ËÌáʾµÄ½âÊÍ£º
# >>> Check for consistency of su on Volume and cell parameters
_152    1   99   99 1 I
The Supplied and Calc. Volume s.u. Differ by ... $I Units  
Some software p ...

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wormma

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